SCHEMBL6523301

SCHEMBL6523301

COc1ccc2nc3cc(Cl)ccc3c(NC(CCCN)CCCO)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.61
▸ USP2 O75604 4/20 0.58
▸ TP53 P04637 3/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ CASP1 P29466 3/20 0.58
▸ CASP7 P55210 3/20 0.58
▸ HBB P68871 3/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ TSHR P16473 2/20 0.58
▸ BRCA1 P38398 2/20 0.58
▸ HIF1A Q16665 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ PRNP P04156 1/20 0.58
▸ CHRM2 P08172 1/20 0.58
▸ CHRM4 P08173 1/20 0.58
▸ ABCB1 P08183 1/20 0.58
▸ HTR1A P08908 1/20 0.58
▸ CHRM5 P08912 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6199957 0.91 USP2 (0.58) ADORA2AUSP2TP53CYP3A4CASP1
Hydrochloric Acid SCHEMBL6201590 0.90 KMT2A (0.59) ADORA2AUSP2TP53CYP3A4CASP1
SCHEMBL1153070 0.86 USP2 (0.75) ADORA2AUSP2TP53CYP3A4CASP1
SCHEMBL23795497 0.80 MBNL1 (0.75) ADORA2AUSP2TP53CYP3A4CASP1
SCHEMBL6782798 0.80 ADORA2A (0.82) ADORA2AUSP2TP53CYP3A4CASP1
SCHEMBL23904131 0.79 MBNL1 (0.77) ADORA2AUSP2TP53CYP3A4CASP1
SCHEMBL6523295 0.79 USP2 (0.65) ADORA2AUSP2TP53CYP3A4CASP1
SCHEMBL23904123 0.79 ADORA2A (0.78) ADORA2AUSP2TP53CYP3A4CASP1
SCHEMBL23904654 0.79 ADORA2A (0.78) ADORA2AUSP2TP53CYP3A4CASP1
SCHEMBL7545214 0.79 ADORA2A (0.78) ADORA2AUSP2TP53CYP3A4CASP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160354533-A1 ADSORBING PATHOGEN-INACTIVATING COMPOUNDS WITH POROUS PARTICLES IMMOBILIZED IN A MATRIX CERUS CORPORATION (US) 2016-12-08 — — US disclosed
EP-1508345-B1 System and method for the reduction of small organic compounds from blood products CERUS CORP (US) 2013-09-25 — — EP disclosed
EP-1508345-A1 Absorbents and devices for the reduction of small organic compounds from blood products Cerus Corporation (US) 2005-02-23 — — EP disclosed
US-20040185553-A9 ADSORBING PATHOGEN-INACTIVATING COMPOUNDS WITH POROUS PARTICLES IMMOBILIZED IN A MATRIX HEI DEREK J (US) 2004-09-23 — — US disclosed
US-20020094568-A1 Batch devices for the reduction of compounds from biological compositions containing cells and methods of use HEI DEREK J (US) 2002-07-18 — — US disclosed
US-20010018179-A1 BATCH DEVICES FOR THE REDUCTION OF COMPOUNDS FROM BIOLOGICAL COMPOSITIONS CONTAINING CELLS AND METHODS OF USE CERUS CORPORATION 2001-08-30 — — US disclosed
US-20010009756-A1 FLOW DEVICES FOR THE REDUCTION OF COMPOUNDS FROM BIOLOGICAL COMPOSITIONS AND METHODS OF USE CERUS CORPORATION 2001-07-26 — — US disclosed
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